CID 12532250

4-bromo-7-methoxy-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C9H6BrNO3
SMILES
COC1=C2C(=C(C=C1)Br)C(=O)C(=O)N2
InChI
InChI=1S/C9H6BrNO3/c1-14-5-3-2-4(10)6-7(5)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChIKey
UPLXITZBWUCNFA-UHFFFAOYSA-N
Compound name
4-bromo-7-methoxy-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

254.95311 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.960386 144.5
[M+Na]+ 277.942328 158.6
[M-H]- 253.945834 150.0
[M+NH4]+ 272.986933 166.5
[M+K]+ 293.916268 147.2
[M+H-H2O]+ 237.950370 145.2
[M+HCOO]- 299.951311 164.0
[M+CH3COO]- 313.966961 188.4
[M+Na-2H]- 275.927776 150.2
[M]+ 254.95256142 164.1
[M]- 254.95365858 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe